2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane

C18H32N2 — CID 121466889

IUPAC2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane
SMILESC=C(CCCCC)C1CC(C)NC(C2=CCCCC2)N1
InChIInChI=1S/C18H32N2/c1-4-5-7-10-14(2)17-13-15(3)19-18(20-17)16-11-8-6-9-12-16/h11,15,17-20H,2,4-10,12-13H2,1,3H3
InChIKeyHZVFBIMRISFXLS-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.29
Rot. Bonds6

About 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane

2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane (PubChem CID 121466889) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane
PubChem CID121466889
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane
SMILESC=C(CCCCC)C1CC(C)NC(C2=CCCCC2)N1
InChIInChI=1S/C18H32N2/c1-4-5-7-10-14(2)17-13-15(3)19-18(20-17)16-11-8-6-9-12-16/h11,15,17-20H,2,4-10,12-13H2,1,3H3
InChIKeyHZVFBIMRISFXLS-UHFFFAOYSA-N
XLogP4.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane?
The IUPAC name of 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane (CID 121466889) is 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane is C=C(CCCCC)C1CC(C)NC(C2=CCCCC2)N1.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane?
The InChIKey is HZVFBIMRISFXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-5-7-10-14(2)17-13-15(3)19-18(20-17)16-11-8-6-9-12-16/h11,15,17-20H,2,4-10,12-13H2,1,3H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane?
2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane has a molecular weight of 276.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-hept-1-en-2-yl-6-methyl-1,3-diazinane is sourced from PubChem (CID 121466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).